cyclopenta-1,3-diene; 2-(2,2-diphenylethenyl)-1,1,3,4-tetraphenyl-but-3-en-1-ol; titanium

Systemtic Name: cyclopenta-1,3-diene; 2-(2,2-diphenylethenyl)-1,1,3,4-tetraphenyl-but-3-en-1-ol; titanium Openeye Name: cyclopenta-1,3-diene; 2-(2,2-diphenylvinyl)-1,1,3,4-tetraphenyl-but-3-en-1-ol; titanium CAS Name: cyclopenta-1,3-diene; 2-(2,2-diphenylethenyl)-1,1,3,4-tetraphenyl-3-buten-1-ol; titanium IUPAC Name: cyclopenta-1,3-diene; 2-(2,2-diphenylethenyl)-1,1,3,4-tetraphenylbut-3-en-1-ol; titanium Traditional Name: cyclopenta-1,3-diene; 2-(2,2-diphenylvinyl)-1,1,3,4-tetraphenyl-but-3-en-1-ol; titanium Formula: C52H43OTi-3 MolecularWeight: 731.76422

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)[C-]=C(C2=CC=CC=C2)C(C=C(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)O.[Ti]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)[C-]=C(C2=CC=CC=C2)C(C=C(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)O.[Ti]

InChI

InChI=1S/C42H33O.2C5H5.Ti/c43-42(37-27-15-5-16-28-37,38-29-17-6-18-30-38)41(32-39(34-21-9-2-10-22-34)35-23-11-3-12-24-35)40(36-25-13-4-14-26-36)31-33-19-7-1-8-20-33;2*1-2-4-5-3-1;/h1-30,32,41,43H;2*1-5H;/q3*-1;